4-[1-(3-methylphenyl)ethyl]-2-(2-phenylpropan-2-yl)phenol

C24H26O — CID 91605400

IUPAC4-[1-(3-methylphenyl)ethyl]-2-(2-phenylpropan-2-yl)phenol
SMILESCc1cccc(C(C)c2ccc(O)c(C(C)(C)c3ccccc3)c2)c1
InChIInChI=1S/C24H26O/c1-17-9-8-10-19(15-17)18(2)20-13-14-23(25)22(16-20)24(3,4)21-11-6-5-7-12-21/h5-16,18,25H,1-4H3
InChIKeyGFKWQRWOIATVJL-UHFFFAOYSA-N
MW330.47 g/mol
LogP6.18
Rot. Bonds4

About 4-[1-(3-methylphenyl)ethyl]-2-(2-phenylpropan-2-yl)phenol

4-[1-(3-methylphenyl)ethyl]-2-(2-phenylpropan-2-yl)phenol (PubChem CID 91605400) has the molecular formula C24H26O and a molecular weight of 330.47 g/mol. Its IUPAC name is 4-[1-(3-methylphenyl)ethyl]-2-(2-phenylpropan-2-yl)phenol.

Molecular Properties

Compound Name4-[1-(3-methylphenyl)ethyl]-2-(2-phenylpropan-2-yl)phenol
PubChem CID91605400
Molecular FormulaC24H26O
Molecular Weight330.47 g/mol
Exact Mass330.20
IUPAC Name4-[1-(3-methylphenyl)ethyl]-2-(2-phenylpropan-2-yl)phenol
SMILESCc1cccc(C(C)c2ccc(O)c(C(C)(C)c3ccccc3)c2)c1
InChIInChI=1S/C24H26O/c1-17-9-8-10-19(15-17)18(2)20-13-14-23(25)22(16-20)24(3,4)21-11-6-5-7-12-21/h5-16,18,25H,1-4H3
InChIKeyGFKWQRWOIATVJL-UHFFFAOYSA-N
XLogP6.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.47
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-4-(1-phenylethyl)phenol
CID 23036863
2-hydroxy-5-(1-phenylethyl)-3-(2-phenylpropan-2-yl)benzoic acid
CID 19770533
2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174697950
benzene;2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174709888
1-methyl-3-[1-[4-(2-phenylethyl)phenyl]ethyl]benzene
CID 173470355
2-tert-butyl-4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 87504919
2-(2-hydroxy-5-methylphenyl)-2-phenylpropanoic acid
CID 174723057
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-(1-phenylethyl)phenol
CID 71400293
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
CID 172708535
ethane;1-methyl-4-[1-[2-(2-phenylpropan-2-yl)phenyl]ethyl]benzene
CID 143180258
(4-tert-butylphenyl)-(3-methylphenyl)methanol
CID 2757292
4-[1-(4-hydroxy-3-phenylphenyl)ethyl]-2-phenylphenol
CID 22492717

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-methylphenyl)ethyl]-2-(2-phenylpropan-2-yl)phenol?
The IUPAC name of 4-[1-(3-methylphenyl)ethyl]-2-(2-phenylpropan-2-yl)phenol (CID 91605400) is 4-[1-(3-methylphenyl)ethyl]-2-(2-phenylpropan-2-yl)phenol.
What is the SMILES notation for 4-[1-(3-methylphenyl)ethyl]-2-(2-phenylpropan-2-yl)phenol?
The canonical SMILES for 4-[1-(3-methylphenyl)ethyl]-2-(2-phenylpropan-2-yl)phenol is Cc1cccc(C(C)c2ccc(O)c(C(C)(C)c3ccccc3)c2)c1.
What is the InChIKey of 4-[1-(3-methylphenyl)ethyl]-2-(2-phenylpropan-2-yl)phenol?
The InChIKey is GFKWQRWOIATVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O/c1-17-9-8-10-19(15-17)18(2)20-13-14-23(25)22(16-20)24(3,4)21-11-6-5-7-12-21/h5-16,18,25H,1-4H3.
What are the key properties of 4-[1-(3-methylphenyl)ethyl]-2-(2-phenylpropan-2-yl)phenol?
4-[1-(3-methylphenyl)ethyl]-2-(2-phenylpropan-2-yl)phenol has a molecular weight of 330.47 g/mol, XLogP of 6.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-methylphenyl)ethyl]-2-(2-phenylpropan-2-yl)phenol is sourced from PubChem (CID 91605400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).